dicyclohexyl-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)phosphane

C17H32N2P+ — CID 132942594

IUPACdicyclohexyl-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)phosphane
SMILESCN1CC[N+](C)=C1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H32N2P/c1-18-13-14-19(2)17(18)20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h15-16H,3-14H2,1-2H3/q+1
InChIKeyIXYAFBCLZDOAHP-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.08
Rot. Bonds3

About dicyclohexyl-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)phosphane

dicyclohexyl-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)phosphane (PubChem CID 132942594) has the molecular formula C17H32N2P+ and a molecular weight of 295.43 g/mol. Its IUPAC name is dicyclohexyl-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)phosphane.

Molecular Properties

Compound Namedicyclohexyl-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)phosphane
PubChem CID132942594
Molecular FormulaC17H32N2P+
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Namedicyclohexyl-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)phosphane
SMILESCN1CC[N+](C)=C1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H32N2P/c1-18-13-14-19(2)17(18)20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h15-16H,3-14H2,1-2H3/q+1
InChIKeyIXYAFBCLZDOAHP-UHFFFAOYSA-N
XLogP4.08
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)phosphane?
The IUPAC name of dicyclohexyl-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)phosphane (CID 132942594) is dicyclohexyl-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)phosphane.
What is the SMILES notation for dicyclohexyl-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)phosphane?
The canonical SMILES for dicyclohexyl-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)phosphane is CN1CC[N+](C)=C1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)phosphane?
The InChIKey is IXYAFBCLZDOAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2P/c1-18-13-14-19(2)17(18)20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h15-16H,3-14H2,1-2H3/q+1.
What are the key properties of dicyclohexyl-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)phosphane?
dicyclohexyl-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)phosphane has a molecular weight of 295.43 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)phosphane is sourced from PubChem (CID 132942594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).